[Dock-fans] Energy score interpretation

Ricardo Nicoluci nicoluci at gmail.com
Thu Oct 13 05:37:40 PDT 2005


Hi Aalok,

There is patch in the Dock program website that corrects this error.
Take a look at this site:
http://dock.compbio.ucsf.edu/DOCK_5/5.2.0/5.2.0_bugfixes.htm

And apply the patch to your Dock program.

Ricardo.

On 10/11/05, Aalok Nadkar <aalok.nadkar at gmail.com> wrote:
> Hi all,
>
> I got this result from my docking run.
> Can somebody help me interpret it?  All the values I have seen are much higher.
> Am I missing something?
>
> RMSD:           31.1563
> ########## Energy Score:       -19067.902954
> ##########          vdw:         1743.725952
> ##########           es:       -20811.628906
>
>
> Thank you,
>
> Aalok Nadkar
>
> Aalok Nadkar
> Research Engineering Associate
> Chemistry and Biochemistry
> University of Texas at Arlington
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>


--
Ricardo de Paula Nicoluci
PhD Student
Medicinal Chemistry Laboratory
IFSC - University of Sao Paulo
Sao Carlos - SP - Brazil



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